[4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine

C16H19NO2 — CID 54934427

IUPAC[4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine
SMILESCOc1ccc(COc2ccc(CN)cc2C)cc1
InChIInChI=1S/C16H19NO2/c1-12-9-14(10-17)5-8-16(12)19-11-13-3-6-15(18-2)7-4-13/h3-9H,10-11,17H2,1-2H3
InChIKeyHZHIRLRBJAFYBC-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.04
Rot. Bonds5

About [4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine

[4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine (PubChem CID 54934427) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine
PubChem CID54934427
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name[4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine
SMILESCOc1ccc(COc2ccc(CN)cc2C)cc1
InChIInChI=1S/C16H19NO2/c1-12-9-14(10-17)5-8-16(12)19-11-13-3-6-15(18-2)7-4-13/h3-9H,10-11,17H2,1-2H3
InChIKeyHZHIRLRBJAFYBC-UHFFFAOYSA-N
XLogP3.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169
2-bromo-4-[(4-methoxyphenyl)methoxy]-5-methylaniline
CID 137378485
[4-[(2-methyl-4-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 169301996
[3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine
CID 107655709
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
[4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine
CID 66479632
4-[(4-methoxyphenyl)methoxy]-2,6-dimethylaniline
CID 170076319
[3-methyl-4-(4-methylphenoxy)phenyl]methanamine
CID 55025691
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
2-[(4-methoxyphenyl)methoxy]-6-methylaniline
CID 43381877
[3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 22683713

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine?
The IUPAC name of [4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine (CID 54934427) is [4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine.
What is the SMILES notation for [4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine?
The canonical SMILES for [4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine is COc1ccc(COc2ccc(CN)cc2C)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine?
The InChIKey is HZHIRLRBJAFYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-9-14(10-17)5-8-16(12)19-11-13-3-6-15(18-2)7-4-13/h3-9H,10-11,17H2,1-2H3.
What are the key properties of [4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine?
[4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine has a molecular weight of 257.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine is sourced from PubChem (CID 54934427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).